Geometry & MOs

Info

ID:	414750
PubChem CID:	135087712
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	360.179755
ΔH_f, kcal/mol:	-61.61
Dipole, Da:	4.57
IP(EA), eV:	-9.06(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4aS,8aS)-7-(2,1,3-benzoxadiazol-4-ylmethyl)-4a-(hydroxymethyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C=C2)C(=O)N3CCC[C@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations